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PDB: 516 件
5HLF
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BU of 5hlf by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A 38-MER HAIRPIN TEMPLATE-PRIMER DNA APTAMER AND AN ALPHA-CARBOXYPHOSPHONATE INHIBITOR
分子名称: DNA (38-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ...
著者Das, K, Arnold, E.
登録日2016-01-15
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Exploring the role of the alpha-carboxyphosphonate moiety in the HIV-RT activity of alpha-carboxy nucleoside phosphonates.
Org.Biomol.Chem., 14, 2016
5HBM
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BU of 5hbm by Molmil
Crystal Structure of a Dihydroxycoumarin RNase H Active-Site Inhibitor in Complex with HIV-1 Reverse Transcriptase
分子名称: (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MANGANESE (II) ION, ...
著者Kirby, K.A, Sarafianos, S.G.
登録日2015-12-31
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.043 Å)
主引用文献Crystal Structure of a Dihydroxycoumarin RNase H Active-Site Inhibitor in Complex with HIV-1 Reverse Transcriptase
To Be Published
5HRO
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BU of 5hro by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A DNA aptamer and an Alpha-carboxy nucleoside phosphonate inhibitor (alpha-CNP)
分子名称: DNA (38-MER), HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT, ...
著者Das, K, Arnold, E.
登録日2016-01-23
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.
Acs Chem.Biol., 11, 2016
2VG7
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BU of 2vg7 by Molmil
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors
分子名称: O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
著者Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M.
登録日2007-11-08
公開日2007-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
5CYQ
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BU of 5cyq by Molmil
HIV-1 reverse transcriptase complexed with 4-bromopyrazole
分子名称: 4-bromo-1H-pyrazole, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, BROMIDE ION, ...
著者Bauman, J.D, Arnold, E.
登録日2015-07-30
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.147 Å)
主引用文献Rapid experimental SAD phasing and hot-spot identification with halogenated fragments.
IUCrJ, 3, 2016
2WON
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BU of 2won by Molmil
Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (wild-type).
分子名称: 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile, HIV-1 REVERSE TRANSCRIPTASE
著者Phillips, C, Irving, S.L, Knoechel, T, Ringrose, H.
登録日2009-07-27
公開日2010-08-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Lersivirine: A Non-Nucleoside Reverse Transcriptase Inhibitor with Activity Against Drug- Resistant Human Immunodeficiency Virus-1.
Antimicrob.Agents Chemother., 54, 2010
5DMR
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BU of 5dmr by Molmil
Crystal Structure of C-terminal domain of mouse eRF1 in complex with RNase H domain of RT of Moloney Murine Leukemia Virus
分子名称: Eukaryotic peptide chain release factor subunit 1, Reverse transcriptase/ribonuclease H p80
著者Tang, X, Song, H.
登録日2015-09-09
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of suppression of host translation termination by Moloney Murine Leukemia Virus
Nat Commun, 7, 2016
2WOM
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BU of 2wom by Molmil
Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (K103N).
分子名称: 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile, HIV-1 REVERSE TRANSCRIPTASE
著者Phillips, C, Irving, S.L, Knoechel, T, Ringrose, H.
登録日2009-07-27
公開日2010-08-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Lersivirine, a nonnucleoside reverse transcriptase inhibitor with activity against drug-resistant human immunodeficiency virus type 1.
Antimicrob. Agents Chemother., 54, 2010
5I42
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BU of 5i42 by Molmil
Structure of HIV-1 Reverse Transcriptase in complex with a DNA aptamer, AZTTP, and CA(2+) ion
分子名称: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (38-MER), ...
著者Das, K, Arnold, E.
登録日2016-02-11
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.
Acs Chem.Biol., 11, 2016
5DMQ
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BU of 5dmq by Molmil
Crystal structure of mouse eRF1 in complex with Reverse Transcriptase (RT) of Moloney Murine Leukemia Virus
分子名称: Eukaryotic peptide chain release factor subunit 1, Reverse transcriptase/ribonuclease H p80
著者Tang, T, Song, H.
登録日2015-09-09
公開日2016-07-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural basis of suppression of host translation termination by Moloney Murine Leukemia Virus
Nat Commun, 7, 2016
5J2N
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BU of 5j2n by Molmil
HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and dTMP at the N-(pre-translocation) site
分子名称: DNA (27-MER), DNA 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3', MAGNESIUM ION, ...
著者Salie, Z.L, Kirby, K.A, Sarafianos, S.G.
登録日2016-03-29
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.896 Å)
主引用文献Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA).
Proc.Natl.Acad.Sci.USA, 113, 2016
5J2Q
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BU of 5j2q by Molmil
HIV-1 reverse transcriptase in complex with DNA that has incorporated a mismatched EFdA-MP at the N-(pre-translocation) site
分子名称: 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate), DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(6FM)P*(6FM))-3'), ...
著者Salie, Z.L, Kirby, K.A, Sarafianos, S.G.
登録日2016-03-29
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.789 Å)
主引用文献Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA).
Proc.Natl.Acad.Sci.USA, 113, 2016
5J1E
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BU of 5j1e by Molmil
Crystal Structure of a Hydroxypyridone Carboxylic Acid Active-Site RNase H Inhibitor in Complex with HIV Reverse Transcriptase
分子名称: 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid, HIV-1 REVERSE TRANSCRIPTASE P51 DOMAIN, HIV-1 REVERSE TRANSCRIPTASE P66 DOMAIN, ...
著者Kirby, K.A, Sarafianos, S.G.
登録日2016-03-29
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, Synthesis, and Biological Evaluations of Hydroxypyridonecarboxylic Acids as Inhibitors of HIV Reverse Transcriptase Associated RNase H.
J.Med.Chem., 59, 2016
5C42
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BU of 5c42 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K101P) Variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor
分子名称: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, HIV-1 Reverse Transcriptase, p51 subunit, ...
著者Frey, K.M, Gray, W.T, Anderson, K.S.
登録日2015-06-17
公開日2015-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Potent Inhibitors Active against HIV Reverse Transcriptase with K101P, a Mutation Conferring Rilpivirine Resistance.
Acs Med.Chem.Lett., 6, 2015
7LQU
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BU of 7lqu by Molmil
Crystal Structure of HIV-1 RT in Complex with NBD-14075
分子名称: Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ...
著者Losada, N, Ruiz, F.X, Gruber, K, Das, K, Arnold, E.
登録日2021-02-15
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
7LPX
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BU of 7lpx by Molmil
Crystal Structure of HIV-1 RT in Complex with NBD-14270
分子名称: Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ...
著者Losada, N, Ruiz, F.X, Arnold, E.
登録日2021-02-12
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
7LPW
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BU of 7lpw by Molmil
Crystal Structure of HIV-1 RT in Complex with NBD-14189
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase p51, ...
著者Losada, N, Ruiz, F.X, Arnold, E.
登録日2021-02-12
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
7LRI
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BU of 7lri by Molmil
Structure of HIV-1 Reverse Transcriptase in complex with DNA, dTTP, and CA(2+) ion
分子名称: CALCIUM ION, DNA/RNA (38-MER), GLYCEROL, ...
著者Hoang, A, Ruiz, F.X, Arnold, E.
登録日2021-02-16
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
7LRX
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BU of 7lrx by Molmil
Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dCTP, and CA(2+) ion
分子名称: 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one, AMMONIUM ION, CALCIUM ION, ...
著者Hoang, A, Ruiz, F.X, Arnold, E.
登録日2021-02-17
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
7LRY
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BU of 7lry by Molmil
Structure of HIV-1 Reverse Transcriptase in complex with DNA, (-)FTC-TP, and CA(2+) ion
分子名称: AMMONIUM ION, CALCIUM ION, DNA/RNA (38-MER), ...
著者Hoang, A, Ruiz, F.X, Arnold, E.
登録日2021-02-17
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
7LRM
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BU of 7lrm by Molmil
Structure of HIV-1 Reverse Transcriptase in complex with DNA, dCTP, and CA(2+) ion
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA/RNA (38-MER), ...
著者Hoang, A, Ruiz, F.X, Arnold, E.
登録日2021-02-16
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
7LSK
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BU of 7lsk by Molmil
Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dTTP, and CA(2+) ion
分子名称: 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, AMMONIUM ION, CALCIUM ION, ...
著者Hoang, A, Ruiz, F.X, Arnold, E.
登録日2021-02-18
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
7KRD
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BU of 7krd by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-(3-chloro-5-cyanophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ702)
分子名称: 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7KRE
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BU of 7kre by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((6-cyanonaphthalen-1-yl)oxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ704)
分子名称: 4-[(6-cyanonaphthalen-1-yl)oxy]-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.728 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
7KRC
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BU of 7krc by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-chloro-5-(2-cyanovinyl)phenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ709)
分子名称: 4-{3-chloro-5-[(E)-2-cyanoethenyl]phenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021

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